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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50541727'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50541727
PNG
(CHEMBL4647226)
Show SMILES CN1N=CC2C1C(O)=C(C(=O)NC13CC4CC(CC(C4)C1)C3)C(=O)N2CCCCF |c:2,t:8,TLB:15:16:14.13.19:20,THB:15:14:21.16.17:20,17:16:13:19.18.20,17:18:21.16.15:13|
Show InChI InChI=1S/C22H31FN4O3/c1-26-18-16(12-24-26)27(5-3-2-4-23)21(30)17(19(18)28)20(29)25-22-9-13-6-14(10-22)8-15(7-13)11-22/h12-16,18,28H,2-11H2,1H3,(H,25,29)
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PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from recombinant human CB2R expressed in HEK293 cell membranes


J Med Chem 63: 7369-7391 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00595
BindingDB Entry DOI: 10.7270/Q2N01B3C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50541727
PNG
(CHEMBL4647226)
Show SMILES CN1N=CC2C1C(O)=C(C(=O)NC13CC4CC(CC(C4)C1)C3)C(=O)N2CCCCF |c:2,t:8,TLB:15:16:14.13.19:20,THB:15:14:21.16.17:20,17:16:13:19.18.20,17:18:21.16.15:13|
Show InChI InChI=1S/C22H31FN4O3/c1-26-18-16(12-24-26)27(5-3-2-4-23)21(30)17(19(18)28)20(29)25-22-9-13-6-14(10-22)8-15(7-13)11-22/h12-16,18,28H,2-11H2,1H3,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 22n/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB2R expressed in CHOK1 cells assessed as inhibition of NKH477-stimulated intracellular cAMP levels after 30 mi...


J Med Chem 63: 7369-7391 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00595
BindingDB Entry DOI: 10.7270/Q2N01B3C
More data for this
Ligand-Target Pair